SCHEMBL1966568

SCHEMBL1966568

COC(=O)c1cccn1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
ATR Q13535 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
FBP1 P09467 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9920358 0.86 TSHR (0.38) CA12CA1CA7CA14NPC1
SCHEMBL1854385 0.85 KDM4E (0.37) CA12CA1CA7CA14NPC1
SCHEMBL15771663 0.84 KDM4E (0.39) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL15771661 0.84 KDM4E (0.39) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL9923086 0.80 RAB9A (0.36) CA12CA1CA7CA14NPC1
SCHEMBL14164203 0.75 NR1H2 (0.47) NR1H2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14791071 0.75 MAPT (0.37) CA12CA1CA7CA14NPC1
SCHEMBL66516 0.75 CTSS (0.39) CA12CA1CA7CA14NPC1
SCHEMBL1968376 0.74 SMN1; SMN2 (0.50) NR1H2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4610205 0.72 GAA (0.39) NR1H2NPC1RAB9AMAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334682-B1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN INC (US) 2017-10-04 EP disclosed
EP-2334682-B1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN INC (US) 2017-10-04 EP disclosed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US disclosed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US disclosed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US disclosed
EP-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 EP disclosed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO disclosed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO disclosed
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE FIBROGEN, INC. 2010-02-25 US disclosed
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE FIBROGEN, INC. 2010-02-25 US disclosed
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE FIBROGEN, INC. 2010-02-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE HIF1AN, HIF1A, EGLN3 NR1H2 678/4885ATR 3945/4885CA12 488/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.